Ethanol → HCID 57910772, compound
Reaction equation
[Br:37][c:38]1[cH:39][n:40][cH:41][c:42]([O:44][CH3:45])[cH:43]1.[CH3:1][C:2]([CH:3]([CH3:4])[CH3:5])([c:6]1[n:7][cH:8][c:9]([B:12]2[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]2)[cH:10][cH:11]1)[c:21]1[cH:22][cH:23][c:24](-[c:27]2[n:28][n:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]2)[cH:25][cH:26]1.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:59][CH2:60][OH:61].[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51]>>[CH3:1][C:2]([CH:3]([CH3:4])[CH3:5])([c:6]1[n:7][cH:8][c:9](-[c:38]2[cH:39][n:40][cH:41][c:42]([O:44][CH3:45])[cH:43]2)[cH:10][cH:11]1)[c:21]1[cH:22][cH:23][c:24](-[c:27]2[n:28][n:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]2)[cH:25][cH:26]1Participants
7
Sources & evidence
- ORD record
- ord-f63caed37504418ba34e529adbf7c205
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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